(4S,5R)-2-oxidanylidene-5-propyl-6-sulfanylidene-1,3-diazinane-4-carboxylic acid

Systemtic Name: (4S,5R)-2-oxidanylidene-5-propyl-6-sulfanylidene-1,3-diazinane-4-carboxylic acid Openeye Name: (4S,5R)-2-oxo-5-propyl-6-thioxo-hexahydropyrimidine-4-carboxylic acid CAS Name: (4S,5R)-2-oxo-5-propyl-6-sulfanylidene-1,3-diazinane-4-carboxylic acid IUPAC Name: (4S,5R)-2-oxo-5-propyl-6-sulfanylidene-1,3-diazinane-4-carboxylic acid Traditional Name: (4S,5R)-2-keto-5-propyl-6-thioxo-hexahydropyrimidine-4-carboxylic acid Formula: C8H12N2O3S MolecularWeight: 216.25748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(NC(=O)NC1=S)C(=O)O

Isomeric SMILES

CCC[C@@H]1[C@H](NC(=O)NC1=S)C(=O)O

InChI

InChI=1S/C8H12N2O3S/c1-2-3-4-5(7(11)12)9-8(13)10-6(4)14/h4-5H,2-3H2,1H3,(H,11,12)(H2,9,10,13,14)/t4-,5+/m1/s1